SCHEMBL3847487

SCHEMBL3847487

O=C(O)CCN1CCC(c2ccc(COc3ccc(-c4ccccc4)c(C(F)(F)F)c3)cc2)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.53
S1PR3 Q99500 5/20 0.53
S1PR5 Q9H228 4/20 0.45
S1PR4 O95977 2/20 0.45
CNR2 P34972 1/20 0.43
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
FFAR4 Q5NUL3 3/20 0.42
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
TAAR1 Q96RJ0 2/20 0.41
HTT P42858 1/20 0.41
LTA4H P09960 1/20 0.41
SLC6A5 Q9Y345 1/20 0.40
GBA1 P04062 2/20 0.40
LCT P09848 2/20 0.40
UGCG Q16739 2/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3847275 0.96 S1PR1 (0.58) S1PR1S1PR3S1PR5S1PR4ADRA1D
SCHEMBL3852741 0.95 S1PR1 (0.53) S1PR1S1PR3S1PR5S1PR4CNR2
SCHEMBL3847399 0.93 S1PR1 (0.48) S1PR1S1PR3S1PR5S1PR4FFAR4
SCHEMBL3849903 0.90 S1PR1 (0.58) S1PR1S1PR3S1PR5S1PR4ADRA1D
SCHEMBL3848092 0.88 S1PR1 (0.52) S1PR1S1PR3ADRA1DADRA1AADRA1B
SCHEMBL3854586 0.88 S1PR1 (0.50) S1PR1S1PR3S1PR5ADRA1DADRA1A
SCHEMBL3847427 0.87 S1PR1 (0.48) S1PR1S1PR3S1PR5S1PR4FFAR4
SCHEMBL3853241 0.84 S1PR1 (0.53) S1PR1S1PR3S1PR5S1PR4
SCHEMBL3853263 0.84 S1PR1 (0.48) S1PR1S1PR3S1PR5S1PR4
SCHEMBL3846587 0.83 ADRA1D (0.48) S1PR1S1PR3S1PR5S1PR4CNR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572811-B2 Immunosuppressant compounds and compositions IRM LLC (BM) 2009-08-11 US claimed
US-20070203100-A1 Immunosuppressant Compounds and Compositions IRM LLC (BM) 2007-08-30 US claimed
US-7572811-B2 Immunosuppressant compounds and compositions IRM LLC (BM) 2009-08-11 US disclosed
US-7572811-B2 Immunosuppressant compounds and compositions IRM LLC (BM) 2009-08-11 US disclosed
US-7572811-B2 Immunosuppressant compounds and compositions IRM LLC (BM) 2009-08-11 US disclosed
EP-1718307-A4 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2009-04-29 EP disclosed
US-20070203100-A1 Immunosuppressant Compounds and Compositions IRM LLC (BM) 2007-08-30 US disclosed
US-20070203100-A1 Immunosuppressant Compounds and Compositions IRM LLC (BM) 2007-08-30 US disclosed
US-20070203100-A1 Immunosuppressant Compounds and Compositions IRM LLC (BM) 2007-08-30 US disclosed
EP-1718307-A2 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM, LLC (BM) 2006-11-08 EP disclosed
WO-2005082089-A2 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2005-09-09 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070203100-A1 Immunosuppressant Compounds and Compositions ICOS, EDNRA, NFATC1 S1PR1 133/4885S1PR3 142/4885S1PR5 70/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.